| SpectraBase Spectrum ID |
8FkUeuimj4a |
| Name |
3-Chloro-2-fluorobenzoic acid, 2,4-dichloro-6-formylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.936655313 u |
| Formula |
C14H6Cl3FO3 |
| InChI |
InChI=1S/C14H6Cl3FO3/c15-8-4-7(6-19)13(11(17)5-8)21-14(20)9-2-1-3-10(16)12(9)18/h1-6H |
| InChIKey |
SNCOJQXUIMUEQY-UHFFFAOYSA-N |
| Molecular Weight |
347.556 g/mol |
| SMILES |
C1(=CC(C=O)=C(C(=C1)Cl)OC(=O)C1=C(C(=CC=C1)Cl)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861989 |
